4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide

C21H17FN2O2 — CID 56747430

IUPAC4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide
SMILESC=Cc1ccc(C(=O)NCc2cccnc2Oc2ccccc2F)cc1
InChIInChI=1S/C21H17FN2O2/c1-2-15-9-11-16(12-10-15)20(25)24-14-17-6-5-13-23-21(17)26-19-8-4-3-7-18(19)22/h2-13H,1,14H2,(H,24,25)
InChIKeyVDXLAPAXQMANMH-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.59
Rot. Bonds6

About 4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide

4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide (PubChem CID 56747430) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide
PubChem CID56747430
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide
SMILESC=Cc1ccc(C(=O)NCc2cccnc2Oc2ccccc2F)cc1
InChIInChI=1S/C21H17FN2O2/c1-2-15-9-11-16(12-10-15)20(25)24-14-17-6-5-13-23-21(17)26-19-8-4-3-7-18(19)22/h2-13H,1,14H2,(H,24,25)
InChIKeyVDXLAPAXQMANMH-UHFFFAOYSA-N
XLogP4.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 56752779
3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56738366
4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 56739016
(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
CID 95197720
(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 95394220
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 42291642
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 56738262
(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide
CID 95219679
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinoline-6-carboxamide
CID 56738127
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxyacetamide
CID 56751588
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]furan-3-carboxamide
CID 26409085

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide (CID 56747430) is 4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide is C=Cc1ccc(C(=O)NCc2cccnc2Oc2ccccc2F)cc1.
What is the InChIKey of 4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide?
The InChIKey is VDXLAPAXQMANMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-2-15-9-11-16(12-10-15)20(25)24-14-17-6-5-13-23-21(17)26-19-8-4-3-7-18(19)22/h2-13H,1,14H2,(H,24,25).
What are the key properties of 4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide?
4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide has a molecular weight of 348.38 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 56747430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).